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Title: Materials Data on MnP4 by Materials Project

Abstract

MnP4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.36 Å. In the second Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.25–2.30 Å. There are four inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. There are one shorter (2.23 Å) and one longer (2.25 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.20 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.21 Å) and one longer (2.28 Å) P–P bond lengths. In the fourth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and twomore » P+0.50- atoms. The P–P bond length is 2.24 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-755453
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnP4; Mn-P
OSTI Identifier:
1290015
DOI:
https://doi.org/10.17188/1290015

Citation Formats

The Materials Project. Materials Data on MnP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290015.
The Materials Project. Materials Data on MnP4 by Materials Project. United States. doi:https://doi.org/10.17188/1290015
The Materials Project. 2020. "Materials Data on MnP4 by Materials Project". United States. doi:https://doi.org/10.17188/1290015. https://www.osti.gov/servlets/purl/1290015. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290015,
title = {Materials Data on MnP4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnP4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.36 Å. In the second Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.25–2.30 Å. There are four inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. There are one shorter (2.23 Å) and one longer (2.25 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.20 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.21 Å) and one longer (2.28 Å) P–P bond lengths. In the fourth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. The P–P bond length is 2.24 Å.},
doi = {10.17188/1290015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}